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1152562-39-4 | 3-iodo-N-(propan-2-yl)aniline
CAS No: 1152562-39-4 Catalog No: AG01AXFV MDL No:MFCD10688924
Product Description
Catalog Number:
AG01AXFV
Chemical Name:
3-iodo-N-(propan-2-yl)aniline
CAS Number:
1152562-39-4
Molecular Formula:
C9H12IN
Molecular Weight:
261.1028
MDL Number:
MFCD10688924
IUPAC Name:
3-iodo-N-propan-2-ylaniline
InChI:
InChI=1S/C9H12IN/c1-7(2)11-9-5-3-4-8(10)6-9/h3-7,11H,1-2H3
InChI Key:
JCUCSTBSQHWRNP-UHFFFAOYSA-N
SMILES:
CC(Nc1cccc(c1)I)C
Properties
Complexity:
114
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.001g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.106g/mol
Monoisotopic Mass:
261.001g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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